| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:19:35 UTC |
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| Update Date | 2025-03-25 01:23:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02384414 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C6H8N2O |
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| Molecular Mass | 124.0637 |
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| SMILES | NCC(=O)c1cc[nH]c1 |
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| InChI Key | TWTYXVGZAGZLEJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl alkyl ketones |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesmonoalkylaminesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyrrolesvinylogous amides |
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| Substituents | vinylogous amidearyl alkyl ketonearomatic heteromonocyclic compoundazacycleheteroaromatic compoundorganic oxidepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compound |
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